ethyl 3-[4-(2-fluorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide

Systemtic Name: ethyl 3-[4-(2-fluorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide Openeye Name: ethyl 3-[4-(2-fluorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide CAS Name: 3-[4-(2-fluorophenyl)-1-methyl-1-piperazin-1-iumyl]propanoic acid ethyl ester iodide IUPAC Name: ethyl 3-[4-(2-fluorophenyl)-1-methylpiperazin-1-ium-1-yl]propanoate iodide Traditional Name: 3-[4-(2-fluorophenyl)-1-methyl-piperazin-1-ium-1-yl]propionic acid ethyl ester iodide Formula: C16H24FIN2O2 MolecularWeight: 422.276833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1(CCN(CC1)C2=CC=CC=C2F)C.[I-]

Isomeric SMILES

CCOC(=O)CC[N+]1(CCN(CC1)C2=CC=CC=C2F)C.[I-]

InChI

InChI=1S/C16H24FN2O2.HI/c1-3-21-16(20)8-11-19(2)12-9-18(10-13-19)15-7-5-4-6-14(15)17;/h4-7H,3,8-13H2,1-2H3;1H/q+1;/p-1